3-hydroxy-3-methylglutarate

3-hydroxy-3-methylglutarate




Chemical Formula:
C6H8O5
Molecular Weight:
160.126 Daltons
Monoisotopic Mass:
162.0528234315 Daltons
SMILES:
CC(CC([O-])=O)(CC([O-])=O)O
InChI:
1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/p-2
InChIKey:
NPOAOTPXWNWTSH-UHFFFAOYSA-L

Synonyms
  • (S)-Meglutol
  • (S)-3-Hydroxy-3-methylglutaric acid
  • (S)-3-Hydroxy-3-methylglutarate
  • 3-hydorxy-3-methylglutaric acid
  • β-Hydroxy-β-methylglutaric acid
  • dicrotalic acid
  • 3-hydroxy-3-methylpentanedioic acid

Databases
MetaCyc:  CPD-547
RefMet:  3-Hydroxymethylglutaric acid
HMDB:  HMDB59737
ChemSpider:  4573695
PubChem (CID):  5459993 1662
KEGG:  C03761
ChEBI:  17325
CAS:  503-49-1
Seed:  cpd02358
MetaNetX:  MNXM1710